| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:51 UTC |
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| Update Date | 2025-03-21 17:57:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008120 |
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| Frequency | 608.7 |
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| Structure | |
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| Chemical Formula | C8H8O4 |
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| Molecular Mass | 168.0423 |
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| SMILES | Cc1c(C(=O)O)ccc(O)c1O |
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| InChI Key | ZDTVOKFHNGKTNZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hydroxybenzoic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmeta cresolsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsortho cresolstoluenes |
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| Substituents | carboxylic acidm-cresolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativehydroxybenzoic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundo-cresolphenolhydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidtolueneorganooxygen compound |
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